5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride

C14H20ClNO4 — CID 45259921

IUPAC5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCOc1c2c(c(OC)c(OC)c1OC)C(C)=NCC2.Cl
InChIInChI=1S/C14H19NO4.ClH/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3;/h6-7H2,1-5H3;1H
InChIKeyPJKKWVUOTCFCAM-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.51
Rot. Bonds4

About 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride

5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 45259921) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride
PubChem CID45259921
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCOc1c2c(c(OC)c(OC)c1OC)C(C)=NCC2.Cl
InChIInChI=1S/C14H19NO4.ClH/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3;/h6-7H2,1-5H3;1H
InChIKeyPJKKWVUOTCFCAM-UHFFFAOYSA-N
XLogP2.51
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride (CID 45259921) is 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride is COc1c2c(c(OC)c(OC)c1OC)C(C)=NCC2.Cl.
What is the InChIKey of 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is PJKKWVUOTCFCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4.ClH/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3;/h6-7H2,1-5H3;1H.
What are the key properties of 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride?
5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetramethoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 45259921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).